2-methyl-3-[1-methyl-4-[1-(phenylmethyl)imidazol-4-yl]-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-benzenecarbonitrile

Systemtic Name: 2-methyl-3-[1-methyl-4-[1-(phenylmethyl)imidazol-4-yl]-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-benzenecarbonitrile Openeye Name: 3-[4-(1-benzylimidazol-4-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzonitrile CAS Name: 2-methyl-3-[1-methyl-4-[1-(phenylmethyl)-4-imidazolyl]-2-propyl-1-benzimidazol-1-iumyl]-6-phenylbenzonitrile IUPAC Name: 3-[4-(1-benzylimidazol-4-yl)-1-methyl-2-propylbenzimidazol-1-ium-1-yl]-2-methyl-6-phenylbenzonitrile Traditional Name: 3-[4-(1-benzylimidazol-4-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzonitrile Formula: C35H32N5+ MolecularWeight: 522.66208

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)C3=C(C(=C(C=C3)C4=CC=CC=C4)C#N)C)C5=CN(C=N5)CC6=CC=CC=C6

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)C3=C(C(=C(C=C3)C4=CC=CC=C4)C#N)C)C5=CN(C=N5)CC6=CC=CC=C6

InChI

InChI=1S/C35H32N5/c1-4-12-34-38-35-29(31-23-39(24-37-31)22-26-13-7-5-8-14-26)17-11-18-33(35)40(34,3)32-20-19-28(30(21-36)25(32)2)27-15-9-6-10-16-27/h5-11,13-20,23-24H,4,12,22H2,1-3H3/q+1